ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002703
RECORD_TITLE: CHOLESTEROL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CHOLESTEROL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₄₈O
CH$EXACT_MASS: 400.37052
CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C3(C)2)(C([H])(CC=C2CC(CC3)([H])OC)1)[H]
CH$IUPAC: InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
CH$LINK: CAS 1174-92-1
CH$LINK: INCHIKEY RCXPTZJNVLDKKV-PXBBAZSNSA-N
CH$LINK: COMPTOX DTXSID00880723

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pvj-4933000000-f89d23ef7b978a5d84dc
PK$NUM_PEAK: 239
PK$PEAK: m/z int. rel.int.
  39 2.1 21
  41 25.3 253
  42 3.6 36
  43 33.4 334
  44 2.1 21
  45 4.3 43
  53 5.5 55
  54 0.12 1
  55 31.9 319
  56 3.7 37
  57 30.3 303
  58 0.31 3
  59 1.2 12
  65 3 30
  66 1.6 16
  67 2.56 26
  68 4.2 42
  69 23.3 233
  70 3.9 39
  71 3.48 35
  72 3.1 31
  73 5.3 53
  77 12.7 127
  78 0.33 3
  79 32.8 328
  80 5.8 58
  81 45.1 451
  82 0.61 6
  83 17.1 171
  84 2.9 29
  85 8.2 82
  86 0.14 1
  91 36.7 367
  92 9.7 97
  93 38.2 382
  94 1.1 11
  95 47.4 474
  96 5.6 56
  97 18 180
  98 0.27 3
  99 3.6 36
  103 3.2 32
  104 4.5 45
  105 5.05 51
  106 16.3 163
  107 60.5 605
  108 15.3 153
  109 2.82 28
  110 4.7 47
  111 12.7 127
  112 1.8 18
  113 0.22 2
  114 1.4 14
  115 6.3 63
  116 3.9 39
  117 1.76 18
  118 10.2 102
  119 43 430
  120 33.7 337
  121 3.93 39
  122 8.6 86
  123 17.1 171
  124 3.4 34
  125 0.49 5
  127 2.8 28
  128 6 60
  129 11.4 114
  130 0.61 6
  131 32.4 324
  132 11.7 117
  133 36.5 365
  134 1.41 14
  135 27 270
  136 6.6 66
  137 10.4 104
  138 0.59 6
  139 8.9 89
  140 1.3 13
  141 4.5 45
  142 0.42 4
  143 20.4 204
  144 11 110
  145 60.9 609
  146 1.92 19
  147 36.6 366
  148 11.5 115
  149 17.9 179
  150 0.41 4
  151 6.3 63
  152 3 30
  153 2.5 25
  154 0.19 2
  155 4.2 42
  156 2.9 29
  157 14.8 148
  158 1.44 14
  159 45.7 457
  160 29.8 298
  161 40.6 406
  162 0.88 9
  163 22.2 222
  164 3.8 38
  165 6.4 64
  166 0.21 2
  167 1.2 12
  169 3.3 33
  170 1.9 19
  171 1.28 13
  172 6 60
  173 22.1 221
  174 8.6 86
  175 1.06 11
  176 2.5 25
  177 8.6 86
  178 2.2 22
  179 0.39 4
  180 1.2 12
  181 1.9 19
  183 3.2 32
  185 1.36 14
  186 6.5 65
  187 14.1 141
  188 4.3 43
  189 8.8 88
  190 2.5 25
  191 7.7 77
  192 5.9 59
  193 0.79 8
  194 1.4 14
  195 1.7 17
  197 4.8 48
  198 0.27 3
  199 16.9 169
  200 7 70
  201 11.9 119
  202 0.31 3
  203 5.9 59
  204 1.5 15
  205 7.3 73
  206 0.5 5
  207 3.3 33
  208 1.3 13
  209 1.4 14
  211 0.25 3
  212 2.3 23
  213 43.8 438
  214 14 140
  215 1.15 12
  216 2.9 29
  217 5 50
  218 1.8 18
  219 0.71 7
  220 2.6 26
  221 1.2 12
  225 1.1 11
  226 0.13 1
  227 8.4 84
  228 13.5 135
  229 11.9 119
  230 0.26 3
  231 2.3 23
  232 1.1 11
  233 5.2 52
  234 0.14 1
  239 2.4 24
  240 1.4 14
  241 6.7 67
  242 0.22 2
  243 2.2 22
  245 11.3 113
  246 7.1 71
  247 3.53 35
  248 8.5 85
  249 1.4 14
  253 1.4 14
  254 0.2 2
  255 44.7 447
  256 10.6 106
  257 2.4 24
  259 0.44 4
  260 7 70
  261 4.6 46
  262 1.7 17
  269 0.17 2
  271 1.5 15
  273 2.7 27
  274 10.9 109
  275 4.45 45
  276 10.2 102
  277 1.4 14
  283 3.6 36
  284 0.14 1
  285 2.5 25
  286 1.5 15
  287 10.1 101
  288 0.36 4
  297 1.4 14
  299 2.6 26
  300 3.8 38
  301 2.7 27
  302 7.1 71
  311 4.2 42
  312 1.9 19
  313 0.47 5
  314 3.4 34
  323 1.3 13
  324 1.5 15
  325 0.31 3
  326 21.6 216
  327 13.8 138
  328 5.9 59
  329 3.34 33
  330 8.8 88
  331 1.5 15
  339 5 50
  340 0.46 5
  341 1.7 17
  342 1 10
  343 1.6 16
  351 0.18 2
  353 76 760
  354 21.8 218
  355 4.1 41
  358 0.16 2
  366 2.3 23
  367 3.3 33
  368 99.99 999
  369 3.14 31
  370 4.9 49
  371 2 20
  372 1.9 19
  385 2.27 23
  386 7.2 72
  387 1.5 15
  398 2.4 24
  399 0.21 2
  400 27.3 273
  401 7.7 77
  402 1.3 13
//